ChemSpider 2D Image | 4'-Methoxy-beta,beta-caroten-4-ol | C41H58O2

4'-Methoxy-β,β-caroten-4-ol

  • Molecular FormulaC41H58O2
  • Average mass582.898 Da
  • Monoisotopic mass582.443665 Da
  • ChemSpider ID9355849

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4'-Methoxy-β,β-caroten-4-ol [ACD/IUPAC Name]
4'-Méthoxy-β,β-carotén-4-ol [French] [ACD/IUPAC Name]
4'-Methoxy-β,β-carotin-4-ol [German] [ACD/IUPAC Name]
β,β-Caroten-4-ol, 4'-methoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 703.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 299.9±25.7 °C
Index of Refraction: 1.552
Molar Refractivity: 188.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 12.32
ACD/LogD (pH 5.5): 11.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 29 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 589.4±5.0 cm3

Click to predict properties on the Chemicalize site


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